7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one

C113H110N16O11 — CID 158447432

IUPAC7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1.O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21.O=C1NCc2cccc(-c3ccc[nH]3)c21
InChIInChI=1S/C24H27N3O2.C23H25N3O2.C22H23N3O3.C16H13N3O2.C16H12N2O.C12H10N2O/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27;27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26;26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25;1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11;19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14;15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28);4-8,13-14,25H,1-3,9-12,15H2,(H,24,27);1-5,12-13,24H,6-11,14H2,(H,23,26);2-7H,8H2,1H3,(H,17,20)(H,18,19);1-8,18H,9H2,(H,17,19);1-6,13H,7H2,(H,14,15)
InChIKeyHDOGJODKZPNNID-UHFFFAOYSA-N
MW1868.22 g/mol
LogP18.55
Rot. Bonds20

About 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one

7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158447432) has the molecular formula C113H110N16O11 and a molecular weight of 1868.22 g/mol. Its IUPAC name is 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID158447432
Molecular FormulaC113H110N16O11
Molecular Weight1868.22 g/mol
Exact Mass1866.85
IUPAC Name7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1.O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21.O=C1NCc2cccc(-c3ccc[nH]3)c21
InChIInChI=1S/C24H27N3O2.C23H25N3O2.C22H23N3O3.C16H13N3O2.C16H12N2O.C12H10N2O/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27;27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26;26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25;1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11;19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14;15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28);4-8,13-14,25H,1-3,9-12,15H2,(H,24,27);1-5,12-13,24H,6-11,14H2,(H,23,26);2-7H,8H2,1H3,(H,17,20)(H,18,19);1-8,18H,9H2,(H,17,19);1-6,13H,7H2,(H,14,15)
InChIKeyHDOGJODKZPNNID-UHFFFAOYSA-N
XLogP18.55
TPSA338.10 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001868.22
LogP ≤ 518.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

(2R)-2-(diethylamino)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 88577755
methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[3-(methylcarbamoyl)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127049255
methyl N-[(2S)-1-[(2S)-2-[5-[6-[3-(dimethylcarbamoyl)phenyl]-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127049571
methyl N-[(2S)-1-[(2S)-2-[5-[6-(3-carbamoylphenyl)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127050117
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 155518262
methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-(oxan-4-yl)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-(oxan-4-yl)-1-oxopropan-2-yl]carbamate
CID 155550835
(2R)-2-phenyl-1-[(2S)-2-[5-[(6S)-6-phenyl-3-[2-[(2S)-1-[(2R)-2-phenyl-2-pyrrolidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 155557485
(5-methoxy-2-methyl-1H-indol-3-yl)-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 156020058
4-[[2-[[3-(2-fluoro-4-pyridinyl)-4-methylanilino]methyl]-3H-benzimidazol-5-yl]oxy]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 68811799
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methylindole-5-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile;6-(5-methoxy-1-methylindol-3-yl)-4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157204082
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one (CID 158447432) is 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one is COc1ccc2nc(-c3cccc4c3C(=O)NC4)[nH]c2c1.O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21.O=C1NCc2cccc(-c3ccc[nH]3)c21.
What is the InChIKey of 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is HDOGJODKZPNNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.C23H25N3O2.C22H23N3O3.C16H13N3O2.C16H12N2O.C12H10N2O/c28-24-23-17(16-25-24)6-4-7-20(23)22-15-18-14-19(8-9-21(18)26-22)29-13-5-12-27-10-2-1-3-11-27;27-23-22-16(15-24-23)5-4-6-19(22)21-14-17-13-18(7-8-20(17)25-21)28-12-11-26-9-2-1-3-10-26;26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25;1-21-10-5-6-12-13(7-10)19-15(18-12)11-4-2-3-9-8-17-16(20)14(9)11;19-16-15-11(9-17-16)5-3-6-12(15)14-8-10-4-1-2-7-13(10)18-14;15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h4,6-9,14-15,26H,1-3,5,10-13,16H2,(H,25,28);4-8,13-14,25H,1-3,9-12,15H2,(H,24,27);1-5,12-13,24H,6-11,14H2,(H,23,26);2-7H,8H2,1H3,(H,17,20)(H,18,19);1-8,18H,9H2,(H,17,19);1-6,13H,7H2,(H,14,15).
What are the key properties of 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1868.22 g/mol, XLogP of 18.55, 20 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-(6-methoxy-1H-benzimidazol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158447432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).